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Compile Data Set for Download or QSAR

Found 1471 hits Enz. Inhib. hit(s) with Target = 'Serine-protein kinase ATM'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571467
PNG
(CHEMBL4850755)
Show SMILES O=c1cc(nc([nH]1)N1CCCCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|
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0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571471
PNG
(CHEMBL4858310 | US11685734, Example 213)
Show SMILES [H][C@]12C[C@@]1([H])[C@H](Cc1ccccc1)N(C2)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|
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0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571463
PNG
(CHEMBL4862803)
Show SMILES [H][C@@]12C[C@]1([H])[C@H](Cc1ccccc1)N(C2)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571476
PNG
(CHEMBL4852400 | US11685734, Example 215)
Show SMILES C[C@@H]1CCN([C@H]1Cc1ccccc1)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550657
PNG
(CHEMBL4792737)
Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
PDB

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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat neutrophil 5- Lipoxygenase (5-LO)


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550657
PNG
(CHEMBL4792737)
Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571474
PNG
(CHEMBL4857803 | US11685734, Example 211)
Show SMILES [H][C@@]12C[C@]1([H])[C@H](Cc1ccccc1)N(C2)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|
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0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571475
PNG
(CHEMBL4853948 | US11685734, Example 292)
Show SMILES [H][C@@]12C[C@]1([H])[C@H](Cc1ccccc1)N(C2)c1nc(cc(=O)[nH]1)N1CCO[C@H](C)C1 |r|
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0.900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571466
PNG
(CHEMBL4878312)
Show SMILES Oc1cc(nc(n1)N1CCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571459
PNG
(CHEMBL4872830)
Show SMILES O=c1cc(cc([nH]1)N1CCCCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571469
PNG
(CHEMBL4852763 | US11685734, Example 270)
Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCCCC[C@@H]1Cc1ccccc1 |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571468
PNG
(CHEMBL4845919)
Show SMILES C[C@@H]1CN(CCO1)c1cc([nH]c(=O)c1)N1CCCCC[C@@H]1Cc1ccccc1 |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571459
PNG
(CHEMBL4872830)
Show SMILES O=c1cc(cc([nH]1)N1CCCCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat neutrophil 5- Lipoxygenase (5-LO),


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571464
PNG
(CHEMBL4874640 | US11685734, Example 43)
Show SMILES [H][C@]12C[C@@]1([H])[C@H](Cc1ccccc1)N(C2)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50059640
PNG
(CHEMBL2140173)
Show SMILES C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1
Show InChI InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Ability to inhibit U-46,619-induced contraction of isolated strips of rabbit thoracic aorta, which is the measure of thromboxane receptor antagonism


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571472
PNG
(CHEMBL4867495 | US11685734, Example 291)
Show SMILES [H][C@]12C[C@@]1([H])[C@H](Cc1ccccc1)N(C2)c1nc(cc(=O)[nH]1)N1CCO[C@H](C)C1 |r|
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50208517
PNG
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)
Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1
Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2
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2.20n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of ATM


Chem Biol 12: 621-37 (2005)


Article DOI: 10.1016/j.chembiol.2005.04.011
BindingDB Entry DOI: 10.7270/Q2R49RR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571461
PNG
(CHEMBL4866506 | US11685734, Example 96)
Show SMILES F[C@@H]1CCN([C@H]1Cc1ccccc1)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571473
PNG
(CHEMBL4856420 | US11685734, Example 39)
Show SMILES [H][C@@]12C[C@]1([H])[C@H](Cc1ccccc1)N(C2)c1cc(cc(=O)[nH]1)N1CCO[C@H](C)C1 |r|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571446
PNG
(CHEMBL4879094)
Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(cc(=O)[nH]1)N1CCOCC1
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571460
PNG
(CHEMBL4858974 | US11685734, Example 98)
Show SMILES FC1(F)CCN([C@H]1Cc1ccccc1)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571455
PNG
(CHEMBL4873212 | US11685734, Example 1)
Show SMILES O=c1cc(cc([nH]1)N1CCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571458
PNG
(CHEMBL4846084 | US11685734, Example 35)
Show SMILES O=c1cc(cc([nH]1)N1CCCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|
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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571470
PNG
(CHEMBL4869283 | US11685734, Example 41)
Show SMILES [H][C@]12C[C@@]1([H])[C@H](Cc1ccccc1)N(C2)c1cc(cc(=O)[nH]1)N1CCO[C@H](C)C1 |r|
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571462
PNG
(CHEMBL4849786 | US11685734, Example 88)
Show SMILES CO[C@@H]1CCN([C@H]1Cc1ccccc1)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571452
PNG
(CHEMBL4874992)
Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(O)nc(n1)N1CCOCC1
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571454
PNG
(CHEMBL4873551)
Show SMILES O=c1cc(cc([nH]1)N1CCCC1Cc1ccccc1)N1CCOCC1
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM350085
PNG
(3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)
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44n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM420857
PNG
(US10479784, Compound IIA-10 | US10961232, Compound...)
Show SMILES CCNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C25H27N5O3S/c1-4-27-14-17-5-7-18(8-6-17)21-13-23(33-30-21)24-25(26)28-15-22(29-24)19-9-11-20(12-10-19)34(31,32)16(2)3/h5-13,15-16,27H,4,14H2,1-3H3,(H2,26,28)
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47n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50513172
PNG
(CHEMBL4467848)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(cc1)[C@H](C)N |r|
Show InChI InChI=1S/C24H25N5O3S/c1-14(2)33(30,31)19-10-8-18(9-11-19)21-13-27-24(26)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)15(3)25/h4-15H,25H2,1-3H3,(H2,26,27)/t15-/m0/s1
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82n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571465
PNG
(CHEMBL4852165)
Show SMILES Oc1cc(nc(n1)N1CCOCC1)N1CCC[C@@H]1Cc1ccccc1 |r|
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87n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50513176
PNG
(CHEMBL4448538)
Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C(C)C)c(Cl)c1
Show InChI InChI=1S/C24H24ClN5O3S/c1-14(2)34(31,32)17-7-5-16(6-8-17)21-13-28-24(26)23(29-21)22-11-20(30-33-22)18-9-4-15(12-27-3)10-19(18)25/h4-11,13-14,27H,12H2,1-3H3,(H2,26,28)
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93n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50513173
PNG
(CHEMBL4566104)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(cc1)[C@@H](C)N |r|
Show InChI InChI=1S/C24H25N5O3S/c1-14(2)33(30,31)19-10-8-18(9-11-19)21-13-27-24(26)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)15(3)25/h4-15H,25H2,1-3H3,(H2,26,27)/t15-/m1/s1
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105n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571448
PNG
(CHEMBL4872482)
Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc([nH]1)N1CCOCC1
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110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM420852
PNG
(US10479784, Compound IIA-5 | US10961232, Compound ...)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN)cc1
Show InChI InChI=1S/C23H23N5O3S/c1-14(2)32(29,30)18-9-7-17(8-10-18)20-13-26-23(25)22(27-20)21-11-19(28-31-21)16-5-3-15(12-24)4-6-16/h3-11,13-14H,12,24H2,1-2H3,(H2,25,26)
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115n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571453
PNG
(CHEMBL4868624)
Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(nc(O)n1)N1CCOCC1
PDB

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160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50513177
PNG
(CHEMBL4444602)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CCOCC2)cc1
Show InChI InChI=1S/C28H31N5O4S/c1-18(2)38(34,35)23-9-7-21(8-10-23)25-17-31-28(29)27(32-25)26-15-24(33-37-26)20-5-3-19(4-6-20)16-30-22-11-13-36-14-12-22/h3-10,15,17-18,22,30H,11-14,16H2,1-2H3,(H2,29,31)
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189n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM420860
PNG
(US10479784, Compound IIA-13 | US10961232, Compound...)
Show SMILES CNCc1ccc(cc1Cl)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C24H24ClN5O3S/c1-14(2)34(31,32)18-8-6-15(7-9-18)21-13-28-24(26)23(29-21)22-11-20(30-33-22)16-4-5-17(12-27-3)19(25)10-16/h4-11,13-14,27H,12H2,1-3H3,(H2,26,28)
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190n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50513174
PNG
(CHEMBL4445532)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C21H19N5O3S/c1-13(2)30(27,28)16-10-8-14(9-11-16)17-12-23-19(22)18(24-17)20-25-21(29-26-20)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,22,23)
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400n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571456
PNG
(CHEMBL4851518)
Show SMILES O=c1cc(cc([nH]1)N1CCC[C@H]1Cc1ccccc1)N1CCOCC1 |r|
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>900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571449
PNG
(CHEMBL4853674)
Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc([nH]c(=O)c1)N1CCOCC1
PDB

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>1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571447
PNG
(CHEMBL4872413)
Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(cc(=O)n1C)N1CCOCC1
PDB

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>1.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571457
PNG
(CHEMBL4854138)
Show SMILES O=c1cc(cc([nH]1)N1CCC(Cc2ccccc2)C1)N1CCOCC1
PDB

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>1.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50513175
PNG
(CHEMBL4530813)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O3S/c1-14(2)30(27,28)17-10-8-15(9-11-17)19-13-24-22(23)21(25-19)18-12-20(29-26-18)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,23,24)
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1.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM132734
PNG
(US8846917, I-1)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C21H20N6O2S/c1-14(2)30(28,29)17-10-8-15(9-11-17)18-12-23-21(22)20(24-18)19-13-27(26-25-19)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23)
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1.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50513180
PNG
(CHEMBL4593939)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C21H19N5O3S/c1-13(2)30(27,28)16-10-8-14(9-11-16)17-12-23-19(22)18(24-17)21-25-20(26-29-21)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,22,23)
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1.35E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50513181
PNG
(CHEMBL4440048)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O3S/c1-14(2)30(27,28)17-10-8-16(9-11-17)19-13-24-22(23)21(25-19)20-12-18(26-29-20)15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,23,24)
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1.40E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571450
PNG
(CHEMBL4850102)
Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(cc(OC)n1)N1CCOCC1
PDB

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>1.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50571451
PNG
(CHEMBL4851148)
Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1nc(O)cc(n1)N1CCOCC1
PDB

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>1.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50513178
PNG
(CHEMBL4434665)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C21H19N5O2S2/c1-13(2)30(27,28)16-10-8-14(9-11-16)17-12-23-19(22)18(24-17)21-26-25-20(29-21)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,22,23)
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>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...


J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair
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